Synonym
GNE-431; GNE 431; GNE431;
IUPAC/Chemical Name
3,4,6,7,8,9-Hexahydro-2-[3-(hydroxymethyl)-4-[8-[(4,5,6,7-tetrahydro-5-methylpyrazolo[1,5-a]pyrazin-2-yl)amino]imidazo[1,2-b]pyridazin-6-yl]-2-pyridinyl]pyrazino[1,2-a]indol-1(2H)-one
InChi Key
XCTHZVUJRUQEGV-UHFFFAOYSA-N
InChi Code
InChI=1S/C30H32N10O2/c1-36-10-13-39-20(17-36)15-27(35-39)33-24-16-23(34-40-9-8-32-29(24)40)21-6-7-31-28(22(21)18-41)38-12-11-37-25-5-3-2-4-19(25)14-26(37)30(38)42/h6-9,14-16,41H,2-5,10-13,17-18H2,1H3,(H,33,35)
SMILES Code
O=C1N(C2=NC=CC(C3=NN4C=CN=C4C(NC(C=C5C6)=NN5CCN6C)=C3)=C2CO)CCN7C1=CC8=C7CCCC8
Purity
>98% (or refer to the Certificate of Analysis)
Shipping Condition
Shipped under ambient temperature as non-hazardous chemical. This product is stable enough for a few weeks during ordinary shipping and time spent in Customs.
Storage Condition
Dry, dark and at 0 - 4 C for short term (days to weeks) or -20 C for long term (months to years).
Solubility
Soluble in DMSO
Shelf Life
>3 years if stored properly
Drug Formulation
This drug may be formulated in DMSO
Stock Solution Storage
0 - 4 C for short term (days to weeks), or -20 C for long term (months).
HS Tariff Code
2934.99.9001
More Info
The Bruton's tyrosine kinase (Btk) inhibitor ibrutinib has shown impressive clinical efficacy in a range of B-cell malignancies. However, acquired resistance has emerged, and second generation therapies are now being sought. Ibrutinib is a covalent, irreversible inhibitor that modifies Cys481 in the ATP binding site of Btk and renders the enzyme inactive, thereby blocking B-cell receptor signal transduction.
Preparing Stock Solutions
The following data is based on the
product
molecular weight
564.65
Batch specific molecular weights may vary
from batch to batch
due to the degree of hydration, which will
affect the solvent
volumes required to prepare stock solutions.
| Concentration / Solvent Volume / Mass |
1 mg |
5 mg |
10 mg |
| 1 mM |
1.15 mL |
5.76 mL |
11.51 mL |
| 5 mM |
0.23 mL |
1.15 mL |
2.3 mL |
| 10 mM |
0.12 mL |
0.58 mL |
1.15 mL |
| 50 mM |
0.02 mL |
0.12 mL |
0.23 mL |
1: Johnson AR, Kohli PB, Katewa A, Gogol E, Belmont LD, Choy R, Penuel E, Burton
L, Eigenbrot C, Yu C, Ortwine DF, Bowman K, Franke Y, Tam C, Estevez A, Mortara
K, Wu J, Li H, Lin M, Bergeron P, Crawford JJ, Young WB. Battling Btk Mutants
With Noncovalent Inhibitors That Overcome Cys481 and Thr474 Mutations. ACS Chem
Biol. 2016 Oct 21;11(10):2897-2907. Epub 2016 Sep 7. PubMed PMID: 27571029.
